2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate

C51H61BrN8O9 — CID 158464257

About 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate

2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (PubChem CID 158464257) has the molecular formula C51H61BrN8O9 and a molecular weight of 1010.00 g/mol. Its IUPAC name is 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
• PubChem CID: 158464257
• Molecular Formula: C51H61BrN8O9
• Molecular Weight: 1010.00 g/mol
• Exact Mass: 1008.37
• IUPAC Name: 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
• SMILES: COC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[C-]#[O+]
• InChI: InChI=1S/C26H32N4O5.C24H29BrN4O3.CO/c1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29;1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28;1-2/h10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32);9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)
• InChIKey: HFODCASHKCSFLP-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 203.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.00
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?

The IUPAC name of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (CID 158464257) is 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.

What is the SMILES notation for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?

The canonical SMILES for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is COC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[C-]#[O+].

What is the InChIKey of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?

The InChIKey is HFODCASHKCSFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5.C24H29BrN4O3.CO/c1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29;1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28;1-2/h10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32);9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31);.

What are the key properties of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?

2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate has a molecular weight of 1010.00 g/mol, XLogP of 6.26, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;carbon monoxide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is sourced from PubChem (CID 158464257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).